Neutron total scattering and reverse Monte Carlo study of cation ordering in CaxSr1−xTiO3

Hui, Q. and Dove, M. T. and Tucker, M. G. and Redfern, S. A. T. and Keen, D. A. (2007) Neutron total scattering and reverse Monte Carlo study of cation ordering in CaxSr1−xTiO3. Journal of Physics Condensed Matter, 19. p. 335214. DOI 10.1088/0953-8984/19/33/335214

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Abstract

We use neutron total scattering measurements with reverse Monte Carlo analysis methods incorporating an atom-swapping algorithm to identify the short-range Ca/Sr cation ordering within the CaxSr1−xTiO3 solid solution (compositions x = 0.2,0.5,0.8). Our results show that nearest-neighbour pairs have a strong tendency for unlike Ca/Sr first-neighbour coordination in the x = 0.2 and 0.5 cases. In the x = 0.5 case the Ca/Sr ordering results in a structure with space group P 21nm. In contrast, there is much less short-range cation ordering in the x = 0.8 case.

Item Type: Article
Uncontrolled Keywords: 2007 AREP IA55 2007 P
Divisions: 03 - Mineral Sciences
Journal or Publication Title: Journal of Physics Condensed Matter
Volume: 19
Page Range: p. 335214
Identification Number: 10.1088/0953-8984/19/33/335214
Depositing User: Sarah Humbert
Date Deposited: 16 Feb 2009 13:02
Last Modified: 23 Jul 2013 10:07
URI: http://eprints.esc.cam.ac.uk/id/eprint/414

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